신소재공학과

Seminar

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Date 20190128

<MSE SPECIAL SEMINAR>

 

■ Title : Computational Discovery and Design of Materials for Energy Technologies

 

■ Speaker : Prof. Yongjin Lee (ShanghaiTech Univ.) 


■ Date and Time : 2019/1/28 (Mon) 16:00 

 

■ Venue : Applied Engineering Building (W1-1) Room #2427 

 

■ Abstract :

With the amazing advance in computer technology since the late 20th century, computational research is increasingly important particularly in the fields of materials science. In today’s materials science, a critical issue is to gain a deeper understanding about quantitative and qualitative relationship among their synthesis conditions, structures, and properties. In this regard, computational modeling can provide researchers with significant insights into atomic-level interactions and underlying fundamental theories. Furthermore, nowadays, while novel synthetic methodologies allow experimentalists to create billions of possible materials, however, in practice we can only synthesize and test a small fraction of them. Therefore, a key challenge is to develop rational strategies to find the best performing materials given these experimental constraints. Big data techniques and machine learning can contribute to solve this issue by uncovering complex relations between observed behavior and the underlying mechanisms.

In this talk, I will discuss our efforts into computational discovery and design of novel materials for energy related applications. In the first part, I will focus on development of silicon-based thermoelectric (TE) materials. To develop high performance silicon-based TE materials, a key issue has been how to further reduce thermal conductivity (k) beyond the so-called alloy limit which is the minimum k of silicon germanium (SiGe) alloy. I will first describe critical factors determining k of SiGe, and then discuss the possibility of lowering κ below the alloy limit with utilizing ternary alloying and poly-crystallizing. In the second part, I will present development of a descriptor to identify nanoporous materials using big-data analysis and show that our descriptor successfully discovered top-performing structures for methane storage applications from nanoporous materials genome. Furthermore, using big-data analysis it will be explained that top performing materials can be divided into topologically distinct classes and that each class requires different optimisation strategies.


List of Articles
No. Category Subject Author Date Views
Notice Regular 6/4 (Tue) Prof. SangBum Kim (Dept. of MSE, SNU) ADMINI 2019.05.31 477
Notice Regular 5/28 (Tue) Prof. Seok Su Sohn (Dept. of MSE, Korea Univ.) ADMINI 2019.05.24 446
Notice Regular 5/21 (Tue) Emeritus Prof. Joong Keun Park (Dept. of MSE, KAIST) ADMINI 2019.05.17 454
Notice Regular 5/17 (Tue) Prof. Su-Hyun Gong (Dept. of Physics, Korea Univ.) ADMINI 2019.05.10 950
Notice Special 5/7 (Tue) Prof. Dr. -ing. Dierk Raabe (MPIE) ADMINI 2019.04.30 763
Notice Regular 4/30 (Tue) Prof. Min Hyuk Park (School of MSE, Pusan National Univ.) ADMINI 2019.04.25 547
Notice Regular 4/23 (Tue) Prof. Seungwu Han (Dept. of MSE, SNU) ADMINI 2019.04.19 308
18 Special 11/13 (Mon) Prof. Jens Oluf Jensen (Technical University of Denmark) ADMINI 2017.11.10 803
17 Special 11/13 (Mon) Dr. Hans Aage Hiuler (Danish Power System) ADMINI 2017.11.10 1858
16 Special 11/22 (Wed) Prof. Sung Hoon Kang (Johns Hopkins University) file ADMINI 2017.11.20 1359
15 Special 11/21 (Tue) Dr. Young Ki Lee (ETRI) file ADMINI 2017.11.20 1065
14 Special 11/24 (Fri) Takashi NOGUCH (University of the Ryukyus) ADMINI 2017.11.23 922
13 Special 1/9 (Tue) Dr. Choon Won Byeon, ETRI ADMINI 2018.01.09 555
12 Special 2/13 (Tue) Prof. Sungkyu Kim (Northwestern Univ) ADMINI 2018.01.31 568
11 Special 2/8 (Thu) Prof. Pei-Chen Su (Nanyang Technological University) file ADMINI 2018.02.05 548
10 Special 2/20 (Tue) Dr. Jae Beom Jang (Sungkyunkwan Univ) ADMINI 2018.02.19 502
9 Special 7/13 (Fri) Prof. Dong Ryeol Whang (Johannes Kepler University Linz, Austria) file ADMINI 2018.07.09 591
8 Special 7/25 (Wed) Dr. Chang Sub Kim (Department of MSE, MIT) ADMINI 2018.07.24 656
7 Special 8/23 (Thu) Prof. YANGUANG LI (Soochow University) file ADMINI 2018.08.20 397
6 Special 8/23 (Thu) Prof. Jeehwan Kim (MIT, USA) file ADMINI 2018.08.20 1179
5 Special 8/24 (Fri) Prof. Joel W. Ager III (UC Berkeley, Lawrence Berkeley National Laboratory) file ADMINI 2018.08.20 826
4 Special 11/2 (Fri) Dr. Sungbong Park (Intel Corporation) ADMINI 2018.10.30 763
3 Special 11/20 (Tue) Prof. Alfonso H. W. Ngan (Department of Mechanical Engineering, University of Hong Kong) file ADMINI 2018.11.13 931
2 Special 11/14 (Wed) Prof. Hui-Ming Cheng (Director and Professor, Tsinghua University, IMR CAS) ADMINI 2018.11.13 628
» Special 1/28 (Mon) Prof. Yongjin Lee (Shanghai Tech Univ.) ADMINI 2019.01.23 813
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